1-cycloheptyl-1-(2-methoxyphenyl)ethanamine

C16H25NO — CID 82932355

IUPAC1-cycloheptyl-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(C)(N)C1CCCCCC1
InChIInChI=1S/C16H25NO/c1-16(17,13-9-5-3-4-6-10-13)14-11-7-8-12-15(14)18-2/h7-8,11-13H,3-6,9-10,17H2,1-2H3
InChIKeyPYHKHMYWUQNDLZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.84
Rot. Bonds3

About 1-cycloheptyl-1-(2-methoxyphenyl)ethanamine

1-cycloheptyl-1-(2-methoxyphenyl)ethanamine (PubChem CID 82932355) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-cycloheptyl-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-cycloheptyl-1-(2-methoxyphenyl)ethanamine
PubChem CID82932355
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-cycloheptyl-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(C)(N)C1CCCCCC1
InChIInChI=1S/C16H25NO/c1-16(17,13-9-5-3-4-6-10-13)14-11-7-8-12-15(14)18-2/h7-8,11-13H,3-6,9-10,17H2,1-2H3
InChIKeyPYHKHMYWUQNDLZ-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 115002546
methyl 2-(cyclohexylamino)-2-(2-methoxyphenyl)propanoate
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1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine
CID 83844871
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390
3-[difluoro-(2-methoxyphenyl)methyl]piperidine
CID 84728168
1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine
CID 164667498
1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 114794872
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
2-(2-methoxyphenyl)-4-phenylbutan-2-amine
CID 54918972
1-[tris(2-methoxyphenyl)methyl]piperidine
CID 67427832
ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
CID 60997682
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-cycloheptyl-1-(2-methoxyphenyl)ethanamine (CID 82932355) is 1-cycloheptyl-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-cycloheptyl-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-cycloheptyl-1-(2-methoxyphenyl)ethanamine is COc1ccccc1C(C)(N)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-1-(2-methoxyphenyl)ethanamine?
The InChIKey is PYHKHMYWUQNDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(17,13-9-5-3-4-6-10-13)14-11-7-8-12-15(14)18-2/h7-8,11-13H,3-6,9-10,17H2,1-2H3.
What are the key properties of 1-cycloheptyl-1-(2-methoxyphenyl)ethanamine?
1-cycloheptyl-1-(2-methoxyphenyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 82932355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).